SCHEMBL10429489

SCHEMBL10429489

COc1ccc(S(=O)(=O)O)cc1NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.55
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14508914 0.82 CASR (0.51) CASRPOLBTSHRMAPK1ALDH1A1
SCHEMBL28417802 0.81 KMT2A (0.61) CASRMAPK1L3MBTL1ALDH1A1LMNA
Sulfuric Acid SCHEMBL20984898 0.80 GAA (0.53) POLBTSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL9636039 0.80 CASR (0.49) CASRCA1CA2MMP1MMP2
SCHEMBL11685580 0.79 LMNA (0.54) POLBTSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL8752027 0.79 ALDH1A1 (0.58) CA1CA2TSHRCA12CA9
Sulfuric Acid SCHEMBL20984211 0.79 HTT (0.48) TSHRALDH1A1KMT2ASMN1; SMN2HTT
Sulfuric Acid SCHEMBL20984443 0.79 KMT2A (0.56) POLBTSHRMAPK1ALDH1A1TP53
SCHEMBL29362862 0.78 MAPK1 (0.70) POLBTSHRMAPK1CA12CA9
SCHEMBL3493614 0.78 MAPK1 (0.70) POLBTSHRMAPK1CA12CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935500-A Blue color SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-06-19 US disclosed
US-4880434-A FIBER REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
EP-0099721-B1 REACTIVE METAL FORMAZAN BLUE DYE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-29 EP disclosed
EP-0099721-A1 Reactive metal formazan blue dye SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-01 EP disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed